1-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide

C13H25N3O2 — CID 79641851

IUPAC1-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide
SMILESCOCC1CCN(C2CCCC(N)(C(N)=O)C2)C1
InChIInChI=1S/C13H25N3O2/c1-18-9-10-4-6-16(8-10)11-3-2-5-13(15,7-11)12(14)17/h10-11H,2-9,15H2,1H3,(H2,14,17)
InChIKeyPTARFGQDQZLBAA-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.08
Rot. Bonds4

About 1-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide

1-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide (PubChem CID 79641851) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide
PubChem CID79641851
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide
SMILESCOCC1CCN(C2CCCC(N)(C(N)=O)C2)C1
InChIInChI=1S/C13H25N3O2/c1-18-9-10-4-6-16(8-10)11-3-2-5-13(15,7-11)12(14)17/h10-11H,2-9,15H2,1H3,(H2,14,17)
InChIKeyPTARFGQDQZLBAA-UHFFFAOYSA-N
XLogP0.08
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-[4-(methoxymethyl)piperidin-1-yl]cyclohexane-1-carboxamide
CID 79642191
1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide
CID 79641984
1-amino-3-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexane-1-carboxamide
CID 79628739
1-amino-3-[3-(dimethylamino)piperidin-1-yl]cyclohexane-1-carboxamide
CID 79641518
3-[3-(methoxymethyl)piperidin-1-yl]-1-(methylamino)cyclopentane-1-carboxamide
CID 106588660
[1-amino-3-[4-(methoxymethyl)piperidin-1-yl]cyclohexyl]methanol
CID 79634523
[1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol
CID 79640319
[1-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol
CID 79640171
1-amino-3-(4-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79641894
methyl 1-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexane-1-carboxylate
CID 79641971
1-amino-3-(3-phenylpyrrolidin-1-yl)cyclohexane-1-carboxamide
CID 79626357
1-amino-3-(4-propylazepan-1-yl)cyclopentane-1-carboxamide
CID 79651227

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide (CID 79641851) is 1-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide is COCC1CCN(C2CCCC(N)(C(N)=O)C2)C1.
What is the InChIKey of 1-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide?
The InChIKey is PTARFGQDQZLBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-18-9-10-4-6-16(8-10)11-3-2-5-13(15,7-11)12(14)17/h10-11H,2-9,15H2,1H3,(H2,14,17).
What are the key properties of 1-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide?
1-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 79641851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).